SCHEMBL2547823

SCHEMBL2547823

N[C@H](CCc1ncc(-c2ccc3cnc(F)cc3c2)s1)[C@@H](OC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.39
CDK2 P24941 6/20 0.39
FFAR1 O14842 4/20 0.32
SGK1 O00141 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ROCK2 O75116 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
SYK P43405 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
FFAR2 O15552 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL2547822 0.86 AKT1 (0.41) AKT1CDK2FFAR1SGK1SYK
SCHEMBL2546723 0.85 AKT1 (0.53) AKT1CDK2SGK1
SCHEMBL12266702 0.85 AKT1 (0.42) AKT1CDK2SGK1
SCHEMBL2546480 0.79 AKT1 (0.46) AKT1CDK2SGK1
SCHEMBL2545074 0.78 AKT1 (0.38) AKT1CDK2FFAR1HDAC1HDAC6
SCHEMBL2545072 0.78 AKT1 (0.38) AKT1CDK2FFAR1HDAC1HDAC6
SCHEMBL2547011 0.78 CDK2 (0.34) AKT1CDK2FFAR1SYKPPARG
SCHEMBL3708146 0.78 CDK2 (0.34) AKT1CDK2FFAR1SYKPPARG
SCHEMBL2547009 0.78 CDK2 (0.34) AKT1CDK2FFAR1SYKPPARG
SCHEMBL12266153 0.78 AKT1 (0.57) AKT1CDK2SGK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 AKT1 74/4885CDK2 151/4885FFAR1 381/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.